PPIRE08179
Target Protein Information
| Protein_Name | Menin |
|---|---|
| Protein_Sequence | MGLKAAQKTLFPLRSIDDVVRLFAAELGREEPDLVLLSLVLGFVEHFLAVNRVIPTNVPELTFQPSPAPDPPGGLTYFPVADLSIIAALYARFTAQIRGAVDLSLYPREGGVSSRELVKKVSDVIWNSLSRSYFKDRAHIQSLFSFITGTKLDSSGVAFAVVGACQALGLRDVHLALSEDHAWVVFGPNGEQTAEVTWHGKGNEDRRGQTVNAGVAERSWLYLKGSYMRCDRKMEVAFMVCAINPSIDLHTDSLELLQLQQKLLWLLYDLGHLERYPMALGNLADLEELEPTPGRPDPLTLYHKGIASAKTYYRDEHIYPYMYLAGYHCRNRNVREALQAWADTATVIQDYNYCREDEEIYKEFFEVANDVIPNLLKEAASLLEAGEERPGEQSQGTQSQGSALQDPECFAHLLRFYDGICKWEEGSPTPVLHVGWATFLVQSLGRFEGQVRQKVRIVSREAEAAEAEEPWGEEAREGRRRGPRRESKPEEPPPPKKPALDKGLGTGQGAVSGPPRKPPGTVAGTARGPEGGSTAQVPAPTASPPPEGPVLTFQSEKMKGMKELLVATKINSSAIKLQLTAQSQVQMKKQKVSTPSDYTLSFLKRQRKGL |
| Organism_Source | Homo sapiens |
| Functional_Classification | histone methyltransferase cofactors |
| Cellular_Localization | Nucleus |
| Gene_Names | MEN1 |
| UniProt_ID | O00255 |
| Protein-Protein Interaction Networks | |
Peptide Basic Information
| Peptide_Name | compound 34 |
|---|---|
| Peptide_Sequence | RWXFPARP |
| Peptide_Length | 8 |
| Peptide_SMILES | C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)O |
| Chemical_Modification | X3=8-aminooctanoic acid |
| Cyclization_Method | Main chain-side chain cyclization; X3<->P8; amide bond |
| Linear/Cyclic | Cyclic |
| N-terminal_Modification | Acetyl |
| C-terminal_Modification | amide |
| Amino_Acid_Distribution | |
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Peptide Physicochemical
| Molecular_Weight | 986.14 |
|---|---|
| Aliphatic_Index | 12.50000 |
| Aromaticity | 0.25000 |
| Average_Rotatable_Bonds | 3.12500 |
| Charge_at_pH_7 | 1.99798 |
| Isoelectric_Point | 12.50011 |
|---|---|
| Number_of_Hydrogen_Bond_Acceptors | 11 |
| Number_of_Hydrogen_Bond_Donors | 14 |
| Topological_Polar_Surface_Area | 389.03000 |
| X_logP_energy | -2.05116 |
Interaction Information
| Affinity | Ki=4.7 nM |
|---|---|
| Affinity_Assay | Fluorescence Polarization |
| PDB_ID | None |
| Type | Inhibitor |
| Structure | |
Reference Information
| Document_Type | Research Articles |
|---|---|
| Title | Structure-based design of high-affinity macrocyclic peptidomimetics to block the menin-mixed lineage leukemia 1 (MLL1)protein-protein interaction. |
| Release_Year | 2012 |
| PMID | 23244744 |
| DOI | 10.1021/jm3015298 |